![CAS 2055841-29-5 2,3-dibromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-29-5.png)
CAS RN: 2055841-29-5
2,3-dibromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine
- Product code: SSC-096806
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2055841-29-5 / 2,3-dibromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
2055841-29-5
Multi CAS
No
Molecular Formula
C8H6Br2N2O
Molecular Weight
305.950000
Exact Mass
305.882640
SMILES
COC1=NC2=C(C=C1)C(=C(N2)Br)Br
InChI
InChI=1S/C8H6Br2N2O/c1-13-5-3-2-4-6(9)7(10)12-8(4)11-5/h2-3H,1H3,(H,11,12)
InChIKey
SSJXDKJSRSEXJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.05
TPSA
37.91
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
3.3
Consensus LogP
3.05
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2055841-30-8 2-{5-azaspiro[2.4]heptan-7-yl}acetic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
-
1-(benzenesulfonyl)-4,6-dichloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 2055841-50-2
- Product Code: SSC-096810
-
2-AMINO-2-(3-METHYLPHENYL)ETHAN-1-OL HCL
- CAS RN: 2055841-56-8
- Product Code: starshine_CAS2055841-56-8
- Purity/Analytical method: >99.0%
-
6-CHLORO-1,2,3,4-TETRA HYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
- CAS RN: 2055841-65-9
- Product Code: starshine_CAS2055841-65-9
- Purity/Analytical method: >99.0%
![CAS 2055841-30-8 2-{5-azaspiro[2.4]heptan-7-yl}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-30-8.png)
![CAS 2055841-50-2 1-(benzenesulfonyl)-4,6-dichloro-3-iodo-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-50-2.png)
